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2008
Mark Photoemission, resonant photoemission, and x-ray absorption of a Ru(II) complex adsorbed on rutile TiO2 (110) prepared by in situ electrospray deposition
Mayor, Louise C. ; Ben Taylor, J. ; Magnano, Graziano ; Rienzo, Anna ; Satterley, Christopher J. ; O'Shea, James N. and Schnadt, Joachim ^LU (2008) In Journal of Chemical Physics 129(11).
- Contribution to journal › Article
Mark Analytic derivatives for the Cholesky representation of the two-electron integrals.
Aquilante, Francesco ^LU ; Lindh, Roland ^LU and Pedersen, Thomas ^LU (2008) In Journal of Chemical Physics 129(3). p.1-034106
- Contribution to journal › Article
Mark Linear scaling multireference singles and doubles configuration interaction.
Chwee, Tsz S ; Szilva, Andrew B ; Lindh, Roland ^LU and Carter, Emily A (2008) In Journal of Chemical Physics 128(22). p.9-224106
- Contribution to journal › Article
Mark Core localization and sigma( *) delocalization in the O 1s core-excited sulfur dioxide molecule.
Lindgren, Andreas ^LU ; Kosugi, Nobuhiro ; Gisselbrecht, Mathieu ^LU ; Kivimäki, Antti ; Burmeister, Florian ; Naves de Brito, Arnaldo and Ristinmaa Sörensen, Stacey ^LU (2008) In Journal of Chemical Physics 128(11).
- Contribution to journal › Article
Mark Exact density functional theory for ideal polymer fluids with nearest neighbor bonding constraints
Woodward, C. E. and Forsman, Jan ^LU (2008) In Journal of Chemical Physics 129(5).
- Contribution to journal › Article
Mark Electrostatics in the presence of spherical dielectric discontinuities.
Linse, Per ^LU (2008) In Journal of Chemical Physics 128(21).
- Contribution to journal › Article
Mark Thermodynamics of peptide aggregation processes: An analysis from perspectives of three statistical ensembles.
Junghans, Christoph ; Bachmann, Michael ^LU and Janke, Wolfhard (2008) In Journal of Chemical Physics 128(8).
- Contribution to journal › Article
Mark Study of the dissociation of nitrous oxide following resonant excitation of the nitrogen and oxygen K-shells.
Céolin, Denis ^LU ; Travnikova, O ; Bao, Z ; Piancastelli, M N ; Tanaka, T ; Hoshino, M ; Kato, H ; Tanaka, H ; Harries, J R and Tamenori, Y , et al. (2008) In Journal of Chemical Physics 128(2). p.9-024306
- Contribution to journal › Article
Mark Changing adsorption mode of FePc on TiO2(110) by surface modification with bipyridine
Palmgren, P. ; Yu, S. ; Hennies, Franz ^LU ; Nilson, K. ; Akermark, B. and Gothelid, M. (2008) In Journal of Chemical Physics 129(7).
- Contribution to journal › Article
Mark A virtual vibrational self-consistent-field method for efficient calculation of molecular vibrational partition functions and thermal effects on molecular properties.
Hansen, Mikkel Bo ; Christiansen, Ove ; Toffoli, Daniele and Kongsted, Jacob ^LU (2008) In Journal of Chemical Physics 128(17). p.1-174106
- Contribution to journal › Article

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